5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine

C10H15N3O — CID 80868547

IUPAC5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1ncnc(N)c1C(C)C
InChIInChI=1S/C10H15N3O/c1-4-5-14-10-8(7(2)3)9(11)12-6-13-10/h4,6-7H,1,5H2,2-3H3,(H2,11,12,13)
InChIKeyGOHWYRNWVGSQLT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.75
Rot. Bonds4

About 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine

5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine (PubChem CID 80868547) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
PubChem CID80868547
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
SMILESC=CCOc1ncnc(N)c1C(C)C
InChIInChI=1S/C10H15N3O/c1-4-5-14-10-8(7(2)3)9(11)12-6-13-10/h4,6-7H,1,5H2,2-3H3,(H2,11,12,13)
InChIKeyGOHWYRNWVGSQLT-UHFFFAOYSA-N
XLogP1.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-heptoxy-5-propan-2-ylpyrimidin-4-amine
CID 80861295
6-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylpyrimidin-4-amine
CID 80861603
5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82958852
5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82795274
5-nitro-6-prop-2-enoxypyrimidin-4-amine
CID 80868030
5-propan-2-yl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874994
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
6-(4-bromophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863794
6-but-3-enoxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80861071
6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275
4-(6-amino-5-propan-2-ylpyrimidin-4-yl)oxybenzonitrile
CID 80869737
6-but-3-enoxy-5-ethylpyrimidin-4-amine
CID 80862301

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine (CID 80868547) is 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine is C=CCOc1ncnc(N)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine?
The InChIKey is GOHWYRNWVGSQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-5-14-10-8(7(2)3)9(11)12-6-13-10/h4,6-7H,1,5H2,2-3H3,(H2,11,12,13).
What are the key properties of 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine?
5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine has a molecular weight of 193.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine is sourced from PubChem (CID 80868547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).